<div dir="ltr"><div>Hi all,</div><div><br></div>I've added to a well-working input<div>      <div>&ELF_CUBE<div>  STRIDE 6</div><div>  &EACH</div><div>     GEO_OPT 5</div><div>  &END EACH<br></div><div> &END ELF_CUBE</div></div></div><div><br></div><div>and get an error:</div><div><br></div><div><div>               ----- ELF is computed on the real space grid -----</div><div><br></div><div><br></div><div> ELF is written in cube file format to the file:</div><div><br></div><div> ELF_S1</div><div><br></div><div> *******************************************************************************</div><div> *   ___                                                                       *</div><div> *  /                                                                          *</div><div> *[ABORT]                                                                      *</div><div> * ___/                               CPASSERT failed                          *</div><div> *  |                                                                          *</div><div> *O/|     /                                                                    *</div><div> *| |     /                                                                    *</div><div> *       **                                       pw/realspace_grid_cube.F:142 *</div><div> *******************************************************************************</div><div><br></div><div><br></div><div> ===== Routine Calling Stack ===== </div><div><br></div><div>           10 pw_to_cube</div><div>            9 qs_scf_post_elf</div><div>            8 scf_post_calculation_gpw</div><div>            7 qs_energies</div><div>            6 qs_forces</div><div>            5 cp_eval_at</div><div>            4 cp_cg_main</div><div>            3 geoopt_cg</div><div>            2 cp_geo_opt</div><div>            1 CP2K</div></div></div>